[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite

C27H38F20O7Si4 — CID 123192333

IUPAC[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite
SMILESCOC(F)(F)C(F)(OC(F)(F)C(F)(F)OF)C(F)(F)F.C[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)CCC(F)(OC(F)(F)CC(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H35F9O4Si4.C6H3F11O3/c1-35(2,3)32-38(8,17-12-10-9-11-13-17)34-37(6,7)33-36(4,5)15-14-18(22,21(28,29)30)31-20(26,27)16-19(23,24)25;1-18-4(11,12)2(7,3(8,9)10)19-5(13,14)6(15,16)20-17/h9-13H,14-16H2,1-8H3;1H3
InChIKeyJKDZBLZYTGHSHF-UHFFFAOYSA-N
MW966.90 g/mol
LogP11.49
Rot. Bonds19

About [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite

[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite (PubChem CID 123192333) has the molecular formula C27H38F20O7Si4 and a molecular weight of 966.90 g/mol. Its IUPAC name is [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite.

Molecular Properties

Compound Name[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite
PubChem CID123192333
Molecular FormulaC27H38F20O7Si4
Molecular Weight966.90 g/mol
Exact Mass966.14
IUPAC Name[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite
SMILESCOC(F)(F)C(F)(OC(F)(F)C(F)(F)OF)C(F)(F)F.C[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)CCC(F)(OC(F)(F)CC(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H35F9O4Si4.C6H3F11O3/c1-35(2,3)32-38(8,17-12-10-9-11-13-17)34-37(6,7)33-36(4,5)15-14-18(22,21(28,29)30)31-20(26,27)16-19(23,24)25;1-18-4(11,12)2(7,3(8,9)10)19-5(13,14)6(15,16)20-17/h9-13H,14-16H2,1-8H3;1H3
InChIKeyJKDZBLZYTGHSHF-UHFFFAOYSA-N
XLogP11.49
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.90
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite with MolForge

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Related Compounds

[Dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane
CID 58112817
[Dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-(4,4,4-trifluorobutyl)silane
CID 58112823
[Dimethyl-(3,4,4,4-tetrafluoro-3-methylbutyl)silyl]oxy-[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-phenylsilane
CID 58112834
[Dimethyl(trimethylsilyloxy)silyl]oxy-[fluoromethoxymethyl(dimethyl)silyl]oxy-methyl-phenylsilane
CID 58112841
Diethoxy-[1-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane
CID 87256320
Diethoxy-[3-(1,1,2,2,3,3,4,4-octafluoropentoxy)propyl]-phenylsilane
CID 87256321
Diethoxy-[3-(1,1,2,2,3,5,5,5-octafluoropentoxy)propyl]-phenylsilane
CID 87256323
3-(2,2-Difluoro-2-methoxyethoxy)propyl-[4-[dimethyl(2-trimethoxysilylethyl)silyl]phenyl]-dimethylsilane
CID 89531262
3-(2,2-Difluoro-2-methoxyethoxy)propyl-[4-[dimethyl(8-trimethoxysilyloctyl)silyl]phenyl]-dimethylsilane
CID 89531266
3-(2,2-Difluoro-2-methoxyethoxy)propyl-[4-[dimethyl(5-trimethoxysilylpentyl)silyl]phenyl]-dimethylsilane
CID 89531268
Diethoxy-(1,1,2,2,2-pentafluoroethoxy)-phenylsilane;methoxy-dimethyl-phenylsilane
CID 90220517
[Dimethoxy(propyl)silyl]oxy-[dimethoxy(3,3,3-trifluoropropyl)silyl]oxy-diphenylsilane
CID 90381317

Frequently Asked Questions

What is the IUPAC name of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite?
The IUPAC name of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite (CID 123192333) is [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite.
What is the SMILES notation for [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite?
The canonical SMILES for [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite is COC(F)(F)C(F)(OC(F)(F)C(F)(F)OF)C(F)(F)F.C[Si](C)(C)O[Si](C)(O[Si](C)(C)O[Si](C)(C)CCC(F)(OC(F)(F)CC(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite?
The InChIKey is JKDZBLZYTGHSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35F9O4Si4.C6H3F11O3/c1-35(2,3)32-38(8,17-12-10-9-11-13-17)34-37(6,7)33-36(4,5)15-14-18(22,21(28,29)30)31-20(26,27)16-19(23,24)25;1-18-4(11,12)2(7,3(8,9)10)19-5(13,14)6(15,16)20-17/h9-13H,14-16H2,1-8H3;1H3.
What are the key properties of [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite?
[dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite has a molecular weight of 966.90 g/mol, XLogP of 11.49, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-(methyl-phenyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-[3,4,4,4-tetrafluoro-3-(1,1,3,3,3-pentafluoropropoxy)butyl]silane;[1,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-methoxypropan-2-yl)oxyethyl] hypofluorite is sourced from PubChem (CID 123192333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).